7UYR
Crystal structure of TYK2 kinase domain in complex with compound 12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.187, 74.240, 106.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.300 - 2.150 |
R-factor | 0.2055 |
Rwork | 0.200 |
R-free | 0.25920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.008 |
RMSD bond angle | 1.566 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.300 | 2.400 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.067 | 0.444 |
Rmeas | 0.499 | |
Number of reflections | 15600 | 4397 |
<I/σ(I)> | 16.8 | 3.79 |
Completeness [%] | 95.5 | 97.7 |
Redundancy | 4.7 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | Crystals of human TYK2 in complex with the ligand were prepared according to established protocols |